3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide

C17H26N2O3 — CID 113122930

IUPAC3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(CCC(C)C)C(C)=O)c1
InChIInChI=1S/C17H26N2O3/c1-13(2)8-10-19(14(3)20)11-9-17(21)18-15-6-5-7-16(12-15)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,21)
InChIKeyCUFKDVLKGWNXCL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.92
Rot. Bonds8

About 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide

3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide (PubChem CID 113122930) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
PubChem CID113122930
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(CCC(C)C)C(C)=O)c1
InChIInChI=1S/C17H26N2O3/c1-13(2)8-10-19(14(3)20)11-9-17(21)18-15-6-5-7-16(12-15)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,21)
InChIKeyCUFKDVLKGWNXCL-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113166581
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 113116238
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122548
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
2-[[3-(3-methoxyanilino)-3-oxopropyl]-methylamino]propanoic acid;hydrochloride
CID 119913523
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
1-(3,3-diphenylpropyl)-3-(3-methoxyphenyl)-1-(2-methylpropyl)urea
CID 25175472
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide (CID 113122930) is 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN(CCC(C)C)C(C)=O)c1.
What is the InChIKey of 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is CUFKDVLKGWNXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)8-10-19(14(3)20)11-9-17(21)18-15-6-5-7-16(12-15)22-4/h5-7,12-13H,8-11H2,1-4H3,(H,18,21).
What are the key properties of 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide?
3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 113122930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).